2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]thio]methyl]benzonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)SCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H13N3OS/c1-12-6-8-13(9-7-12)16-19-17(21-20-16)22-11-15-5-3-2-4-14(15)10-18/h2-9H,11H2,1H3